ACCESSION: MSBNK-EPA-ENTACT_AGILENT002234
RECORD_TITLE: 6-Nitrobenzimidazole; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 6-Nitrobenzimidazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅N₃O₂
CH$EXACT_MASS: 163.0381764263
CH$SMILES: [O-][N+](=O)C1=CC2N=CNC=2C=C1
CH$IUPAC: InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
CH$LINK: CAS 94-52-0
CH$LINK: INCHIKEY XPAZGLFMMUODDK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7195

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 164.045452878
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014l-9800000000-c1aa52d76b7918c4e335
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  41.026001 2.357705 23
  52.018175 2.647967 26
  52.030752 1.725222 17
  63.022927 4.877251 48
  64.030752 16.463641 164
  65.026001 3.623131 36
  67.041651 1.11035 11
  78.033826 1.482275 14
  79.041651 1.879172 18
  90.033826 2.259269 22
  91.041651 73.797229 737
  117.044725 6.824625 68
  118.05255 99.999999 999
//